1-[2-[(2-chloro-4-fluorophenyl)methoxy]-4-fluorophenyl]ethanol

C15H13ClF2O2 — CID 63068032

IUPAC1-[2-[(2-chloro-4-fluorophenyl)methoxy]-4-fluorophenyl]ethanol
SMILESCC(O)c1ccc(F)cc1OCc1ccc(F)cc1Cl
InChIInChI=1S/C15H13ClF2O2/c1-9(19)13-5-4-12(18)7-15(13)20-8-10-2-3-11(17)6-14(10)16/h2-7,9,19H,8H2,1H3
InChIKeyDDICPDHAOSPXBJ-UHFFFAOYSA-N
MW298.72 g/mol
LogP4.25
Rot. Bonds4

About 1-[2-[(2-chloro-4-fluorophenyl)methoxy]-4-fluorophenyl]ethanol

1-[2-[(2-chloro-4-fluorophenyl)methoxy]-4-fluorophenyl]ethanol (PubChem CID 63068032) has the molecular formula C15H13ClF2O2 and a molecular weight of 298.72 g/mol. Its IUPAC name is 1-[2-[(2-chloro-4-fluorophenyl)methoxy]-4-fluorophenyl]ethanol.

Molecular Properties

Compound Name1-[2-[(2-chloro-4-fluorophenyl)methoxy]-4-fluorophenyl]ethanol
PubChem CID63068032
Molecular FormulaC15H13ClF2O2
Molecular Weight298.72 g/mol
Exact Mass298.06
IUPAC Name1-[2-[(2-chloro-4-fluorophenyl)methoxy]-4-fluorophenyl]ethanol
SMILESCC(O)c1ccc(F)cc1OCc1ccc(F)cc1Cl
InChIInChI=1S/C15H13ClF2O2/c1-9(19)13-5-4-12(18)7-15(13)20-8-10-2-3-11(17)6-14(10)16/h2-7,9,19H,8H2,1H3
InChIKeyDDICPDHAOSPXBJ-UHFFFAOYSA-N
XLogP4.25
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.72
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[2-[(2-chloro-4-fluorophenyl)methoxy]-4-methoxyphenyl]ethanol
CID 82002835
(1S)-1-[2-[(2,4-difluorophenyl)methoxy]-4-fluorophenyl]ethanol
CID 63366143
(1S)-1-[2-[(2-chloro-3-fluorophenyl)methoxy]-4-fluorophenyl]ethanol
CID 103954698
1-[4-bromo-2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanol
CID 102948136
(1R)-1-[4-bromo-2-[(4-bromo-2-chlorophenyl)methoxy]phenyl]ethanol
CID 102948801
1-[4-fluoro-2-[(2-methylphenyl)methoxy]phenyl]ethanol
CID 55147459
(1S)-1-[2-[(4-bromo-2-chlorophenyl)methoxy]-4-fluorophenyl]ethanamine
CID 104862272
(1R)-1-[2-[(2-chloro-5-fluorophenyl)methoxy]-5-fluorophenyl]ethanol
CID 102616518
1-[2-[(2-chloro-4-fluorophenyl)methoxy]-4-methylphenyl]-N-methylethanamine
CID 63638938
(1R)-1-[2-[(2,4-dichlorophenyl)methoxy]-4-methoxyphenyl]ethanol
CID 82002286
(1S)-1-[4-fluoro-2-[(4-methylphenyl)methoxy]phenyl]ethanol
CID 78932617
1-[2-[(2,6-difluorophenyl)methoxy]-4-fluorophenyl]ethanol
CID 114930534

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-chloro-4-fluorophenyl)methoxy]-4-fluorophenyl]ethanol?
The IUPAC name of 1-[2-[(2-chloro-4-fluorophenyl)methoxy]-4-fluorophenyl]ethanol (CID 63068032) is 1-[2-[(2-chloro-4-fluorophenyl)methoxy]-4-fluorophenyl]ethanol.
What is the SMILES notation for 1-[2-[(2-chloro-4-fluorophenyl)methoxy]-4-fluorophenyl]ethanol?
The canonical SMILES for 1-[2-[(2-chloro-4-fluorophenyl)methoxy]-4-fluorophenyl]ethanol is CC(O)c1ccc(F)cc1OCc1ccc(F)cc1Cl.
What is the InChIKey of 1-[2-[(2-chloro-4-fluorophenyl)methoxy]-4-fluorophenyl]ethanol?
The InChIKey is DDICPDHAOSPXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF2O2/c1-9(19)13-5-4-12(18)7-15(13)20-8-10-2-3-11(17)6-14(10)16/h2-7,9,19H,8H2,1H3.
What are the key properties of 1-[2-[(2-chloro-4-fluorophenyl)methoxy]-4-fluorophenyl]ethanol?
1-[2-[(2-chloro-4-fluorophenyl)methoxy]-4-fluorophenyl]ethanol has a molecular weight of 298.72 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-chloro-4-fluorophenyl)methoxy]-4-fluorophenyl]ethanol is sourced from PubChem (CID 63068032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).